aluminum octadecanoic acid hydrate

Systemtic Name: aluminum octadecanoic acid hydrate Openeye Name: aluminum stearic acid hydrate CAS Name: aluminum octadecanoic acid hydrate IUPAC Name: aluminum octadecanoic acid hydrate Traditional Name: aluminum stearic acid hydrate Formula: C36H74AlO5+3 MolecularWeight: 613.951298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.O.[Al+3]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.O.[Al+3]

InChI

InChI=1S/2C18H36O2.Al.H2O/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h2*2-17H2,1H3,(H,19,20);;1H2/q;;+3;